Found 36 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Renin
(Homo sapiens (Human)) | BDBM50365572
(CHEMBL1957797)Show SMILES COC[C@H](C)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O |r| Show InChI InChI=1S/C34H44N2O4/c1-24(21-39-4)22-40-23-27-9-12-30(13-10-27)34(38)16-18-35-20-33(34)31-14-11-29(19-25(31)2)32-8-6-5-7-28(32)15-17-36-26(3)37/h5-14,19,24,33,35,38H,15-18,20-23H2,1-4H3,(H,36,37)/t24-,33+,34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365571
(CHEMBL1957789)Show SMILES COCC(F)(F)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O |r| Show InChI InChI=1S/C33H40F2N2O4/c1-23-18-27(30-7-5-4-6-26(30)14-16-37-24(2)38)10-13-29(23)31-19-36-17-15-33(31,39)28-11-8-25(9-12-28)20-41-22-32(34,35)21-40-3/h4-13,18,31,36,39H,14-17,19-22H2,1-3H3,(H,37,38)/t31-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365569
(CHEMBL1957796)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OC(=O)c3cc(F)c(F)cc23)c(C)c1 |r| Show InChI InChI=1S/C29H28F2N2O3/c1-17-13-20(22-6-4-3-5-19(22)9-11-33-18(2)34)7-8-21(17)25-16-32-12-10-29(25)24-15-27(31)26(30)14-23(24)28(35)36-29/h3-8,13-15,25,32H,9-12,16H2,1-2H3,(H,33,34)/t25-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365570
(CHEMBL1957788)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c(C)c1 |r| Show InChI InChI=1S/C29H30F2N2O2/c1-18-13-21(24-6-4-3-5-20(24)9-11-33-19(2)34)7-8-23(18)26-16-32-12-10-29(26)25-15-28(31)27(30)14-22(25)17-35-29/h3-8,13-15,26,32H,9-12,16-17H2,1-2H3,(H,33,34)/t26-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365571
(CHEMBL1957789)Show SMILES COCC(F)(F)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O |r| Show InChI InChI=1S/C33H40F2N2O4/c1-23-18-27(30-7-5-4-6-26(30)14-16-37-24(2)38)10-13-29(23)31-19-36-17-15-33(31,39)28-11-8-25(9-12-28)20-41-22-32(34,35)21-40-3/h4-13,18,31,36,39H,14-17,19-22H2,1-3H3,(H,37,38)/t31-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub... |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365572
(CHEMBL1957797)Show SMILES COC[C@H](C)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O |r| Show InChI InChI=1S/C34H44N2O4/c1-24(21-39-4)22-40-23-27-9-12-30(13-10-27)34(38)16-18-35-20-33(34)31-14-11-29(19-25(31)2)32-8-6-5-7-28(32)15-17-36-26(3)37/h5-14,19,24,33,35,38H,15-18,20-23H2,1-4H3,(H,36,37)/t24-,33+,34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub... |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365561
(CHEMBL1957676)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C27H27ClF2N2O/c1-17(33)32-13-10-18-4-2-3-5-21(18)19-6-8-23(25(28)14-19)24-16-31-12-11-22(24)20-7-9-26(29)27(30)15-20/h2-9,14-15,22,24,31H,10-13,16H2,1H3,(H,32,33)/t22-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365568
(CHEMBL1957795)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c(C)c1 |r| Show InChI InChI=1S/C28H30F2N2O2/c1-18-15-21(24-6-4-3-5-20(24)11-13-32-19(2)33)7-9-23(18)25-17-31-14-12-28(25,34)22-8-10-26(29)27(30)16-22/h3-10,15-16,25,31,34H,11-14,17H2,1-2H3,(H,32,33)/t25-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365570
(CHEMBL1957788)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c(C)c1 |r| Show InChI InChI=1S/C29H30F2N2O2/c1-18-13-21(24-6-4-3-5-20(24)9-11-33-19(2)34)7-8-23(18)26-16-32-12-10-29(26)25-15-28(31)27(30)14-22(25)17-35-29/h3-8,13-15,26,32H,9-12,16-17H2,1-2H3,(H,33,34)/t26-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub... |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365562
(CHEMBL1957677)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2cccnc2)c(Cl)c1 |r| Show InChI InChI=1S/C26H28ClN3O/c1-18(31)30-14-10-19-5-2-3-7-22(19)20-8-9-24(26(27)15-20)25-17-29-13-11-23(25)21-6-4-12-28-16-21/h2-9,12,15-16,23,25,29H,10-11,13-14,17H2,1H3,(H,30,31)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365569
(CHEMBL1957796)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OC(=O)c3cc(F)c(F)cc23)c(C)c1 |r| Show InChI InChI=1S/C29H28F2N2O3/c1-17-13-20(22-6-4-3-5-19(22)9-11-33-18(2)34)7-8-21(17)25-16-32-12-10-29(25)24-15-27(31)26(30)14-23(24)28(35)36-29/h3-8,13-15,25,32H,9-12,16H2,1-2H3,(H,33,34)/t25-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub... |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365563
(CHEMBL1957790)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C27H30ClN3O2/c1-18(32)30-13-9-19-5-3-4-6-22(19)20-7-8-24(26(28)15-20)25-17-29-12-10-23(25)21-11-14-31(2)27(33)16-21/h3-8,11,14-16,23,25,29H,9-10,12-13,17H2,1-2H3,(H,30,32)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365563
(CHEMBL1957790)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C27H30ClN3O2/c1-18(32)30-13-9-19-5-3-4-6-22(19)20-7-8-24(26(28)15-20)25-17-29-12-10-23(25)21-11-14-31(2)27(33)16-21/h3-8,11,14-16,23,25,29H,9-10,12-13,17H2,1-2H3,(H,30,32)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub... |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365565
(CHEMBL1957792)Show SMILES COC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C27H30ClN3O3/c1-31-14-11-20(16-26(31)32)22-10-12-29-17-24(22)23-8-7-19(15-25(23)28)21-6-4-3-5-18(21)9-13-30-27(33)34-2/h3-8,11,14-16,22,24,29H,9-10,12-13,17H2,1-2H3,(H,30,33)/t22-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.52 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365562
(CHEMBL1957677)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2cccnc2)c(Cl)c1 |r| Show InChI InChI=1S/C26H28ClN3O/c1-18(31)30-14-10-19-5-2-3-7-22(19)20-8-9-24(26(27)15-20)25-17-29-13-11-23(25)21-6-4-12-28-16-21/h2-9,12,15-16,23,25,29H,10-11,13-14,17H2,1H3,(H,30,31)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub... |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365564
(CHEMBL1957791)Show SMILES CCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C28H32ClN3O2/c1-3-27(33)31-14-10-19-6-4-5-7-22(19)20-8-9-24(26(29)16-20)25-18-30-13-11-23(25)21-12-15-32(2)28(34)17-21/h4-9,12,15-17,23,25,30H,3,10-11,13-14,18H2,1-2H3,(H,31,33)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365568
(CHEMBL1957795)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c(C)c1 |r| Show InChI InChI=1S/C28H30F2N2O2/c1-18-15-21(24-6-4-3-5-20(24)11-13-32-19(2)33)7-9-23(18)25-17-31-14-12-28(25,34)22-8-10-26(29)27(30)16-22/h3-10,15-16,25,31,34H,11-14,17H2,1-2H3,(H,32,33)/t25-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.95 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub... |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50365573
(CHEMBL1957798)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 |r| Show InChI InChI=1S/C35H38Cl2N2O3/c1-23-18-33(36)35(34(37)19-23)42-17-16-41-30-11-8-26(9-12-30)21-29(22-38)31-13-10-28(20-24(31)2)32-7-5-4-6-27(32)14-15-39-25(3)40/h4-13,18-20,29H,14-17,21-22,38H2,1-3H3,(H,39,40)/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365565
(CHEMBL1957792)Show SMILES COC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C27H30ClN3O3/c1-31-14-11-20(16-26(31)32)22-10-12-29-17-24(22)23-8-7-19(15-25(23)28)21-6-4-3-5-18(21)9-13-30-27(33)34-2/h3-8,11,14-16,22,24,29H,9-10,12-13,17H2,1-2H3,(H,30,33)/t22-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub... |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365561
(CHEMBL1957676)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C27H27ClF2N2O/c1-17(33)32-13-10-18-4-2-3-5-21(18)19-6-8-23(25(28)14-19)24-16-31-12-11-22(24)20-7-9-26(29)27(30)15-20/h2-9,14-15,22,24,31H,10-13,16H2,1H3,(H,32,33)/t22-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub... |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365564
(CHEMBL1957791)Show SMILES CCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C28H32ClN3O2/c1-3-27(33)31-14-10-19-6-4-5-7-22(19)20-8-9-24(26(29)16-20)25-18-30-13-11-23(25)21-12-15-32(2)28(34)17-21/h4-9,12,15-17,23,25,30H,3,10-11,13-14,18H2,1-2H3,(H,31,33)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub... |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365566
(CHEMBL1957793)Show SMILES CCOC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C28H32ClN3O3/c1-3-35-28(34)31-14-10-19-6-4-5-7-22(19)20-8-9-24(26(29)16-20)25-18-30-13-11-23(25)21-12-15-32(2)27(33)17-21/h4-9,12,15-17,23,25,30H,3,10-11,13-14,18H2,1-2H3,(H,31,34)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365566
(CHEMBL1957793)Show SMILES CCOC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C28H32ClN3O3/c1-3-35-28(34)31-14-10-19-6-4-5-7-22(19)20-8-9-24(26(29)16-20)25-18-30-13-11-23(25)21-12-15-32(2)27(33)17-21/h4-9,12,15-17,23,25,30H,3,10-11,13-14,18H2,1-2H3,(H,31,34)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 28.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub... |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365567
(CHEMBL1957794)Show SMILES COCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C28H32ClN3O3/c1-32-14-11-21(16-28(32)34)23-10-12-30-17-25(23)24-8-7-20(15-26(24)29)22-6-4-3-5-19(22)9-13-31-27(33)18-35-2/h3-8,11,14-16,23,25,30H,9-10,12-13,17-18H2,1-2H3,(H,31,33)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 73.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50365567
(CHEMBL1957794)Show SMILES COCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C28H32ClN3O3/c1-32-14-11-21(16-28(32)34)23-10-12-30-17-25(23)24-8-7-20(15-26(24)29)22-6-4-3-5-19(22)9-13-31-27(33)18-35-2/h3-8,11,14-16,23,25,30H,9-10,12-13,17-18H2,1-2H3,(H,31,33)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 97.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub... |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50365561
(CHEMBL1957676)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C27H27ClF2N2O/c1-17(33)32-13-10-18-4-2-3-5-21(18)19-6-8-23(25(28)14-19)24-16-31-12-11-22(24)20-7-9-26(29)27(30)15-20/h2-9,14-15,22,24,31H,10-13,16H2,1H3,(H,32,33)/t22-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50365564
(CHEMBL1957791)Show SMILES CCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C28H32ClN3O2/c1-3-27(33)31-14-10-19-6-4-5-7-22(19)20-8-9-24(26(29)16-20)25-18-30-13-11-23(25)21-12-15-32(2)28(34)17-21/h4-9,12,15-17,23,25,30H,3,10-11,13-14,18H2,1-2H3,(H,31,33)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50365566
(CHEMBL1957793)Show SMILES CCOC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C28H32ClN3O3/c1-3-35-28(34)31-14-10-19-6-4-5-7-22(19)20-8-9-24(26(29)16-20)25-18-30-13-11-23(25)21-12-15-32(2)27(33)17-21/h4-9,12,15-17,23,25,30H,3,10-11,13-14,18H2,1-2H3,(H,31,34)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50365568
(CHEMBL1957795)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c(C)c1 |r| Show InChI InChI=1S/C28H30F2N2O2/c1-18-15-21(24-6-4-3-5-20(24)11-13-32-19(2)33)7-9-23(18)25-17-31-14-12-28(25,34)22-8-10-26(29)27(30)16-22/h3-10,15-16,25,31,34H,11-14,17H2,1-2H3,(H,32,33)/t25-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50365562
(CHEMBL1957677)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2cccnc2)c(Cl)c1 |r| Show InChI InChI=1S/C26H28ClN3O/c1-18(31)30-14-10-19-5-2-3-7-22(19)20-8-9-24(26(27)15-20)25-17-29-13-11-23(25)21-6-4-12-28-16-21/h2-9,12,15-16,23,25,29H,10-11,13-14,17H2,1H3,(H,30,31)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50365570
(CHEMBL1957788)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c(C)c1 |r| Show InChI InChI=1S/C29H30F2N2O2/c1-18-13-21(24-6-4-3-5-20(24)9-11-33-19(2)34)7-8-23(18)26-16-32-12-10-29(26)25-15-28(31)27(30)14-22(25)17-35-29/h3-8,13-15,26,32H,9-12,16-17H2,1-2H3,(H,33,34)/t26-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50365563
(CHEMBL1957790)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C27H30ClN3O2/c1-18(32)30-13-9-19-5-3-4-6-22(19)20-7-8-24(26(28)15-20)25-17-29-12-10-23(25)21-11-14-31(2)27(33)16-21/h3-8,11,14-16,23,25,29H,9-10,12-13,17H2,1-2H3,(H,30,32)/t23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50365572
(CHEMBL1957797)Show SMILES COC[C@H](C)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O |r| Show InChI InChI=1S/C34H44N2O4/c1-24(21-39-4)22-40-23-27-9-12-30(13-10-27)34(38)16-18-35-20-33(34)31-14-11-29(19-25(31)2)32-8-6-5-7-28(32)15-17-36-26(3)37/h5-14,19,24,33,35,38H,15-18,20-23H2,1-4H3,(H,36,37)/t24-,33+,34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50365571
(CHEMBL1957789)Show SMILES COCC(F)(F)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O |r| Show InChI InChI=1S/C33H40F2N2O4/c1-23-18-27(30-7-5-4-6-26(30)14-16-37-24(2)38)10-13-29(23)31-19-36-17-15-33(31,39)28-11-8-25(9-12-28)20-41-22-32(34,35)21-40-3/h4-13,18,31,36,39H,14-17,19-22H2,1-3H3,(H,37,38)/t31-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50365565
(CHEMBL1957792)Show SMILES COC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r| Show InChI InChI=1S/C27H30ClN3O3/c1-31-14-11-20(16-26(31)32)22-10-12-29-17-24(22)23-8-7-19(15-25(23)28)21-6-4-3-5-18(21)9-13-30-27(33)34-2/h3-8,11,14-16,22,24,29H,9-10,12-13,17H2,1-2H3,(H,30,33)/t22-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50365569
(CHEMBL1957796)Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OC(=O)c3cc(F)c(F)cc23)c(C)c1 |r| Show InChI InChI=1S/C29H28F2N2O3/c1-17-13-20(22-6-4-3-5-19(22)9-11-33-18(2)34)7-8-21(17)25-16-32-12-10-29(25)24-15-27(31)26(30)14-23(24)28(35)36-29/h3-8,13-15,25,32H,9-12,16H2,1-2H3,(H,33,34)/t25-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 1953-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB |
More data for this
Ligand-Target Pair | |
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